iterations/neb0_image03_iter211_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.362596160811E+03 0.36260E+03 -0.14318E+04 632 0.799E+02
DAV: 2 -0.143141444218E+00 -0.36274E+03 -0.35319E+03 850 0.195E+02
DAV: 3 -0.959246929018E+02 -0.95782E+02 -0.95462E+02 672 0.115E+02
DAV: 4 -0.100196794174E+03 -0.42721E+01 -0.42604E+01 720 0.273E+01
DAV: 5 -0.100282902680E+03 -0.86109E-01 -0.86078E-01 736 0.345E+00 0.221E+01
DAV: 6 -0.916892874832E+02 0.85936E+01 -0.30923E+01 680 0.297E+01 0.117E+01
DAV: 7 -0.908562997486E+02 0.83299E+00 -0.18150E+00 720 0.640E+00 0.486E+00
DAV: 8 -0.904581364276E+02 0.39816E+00 -0.56428E-01 688 0.441E+00 0.169E+00
DAV: 9 -0.903634131157E+02 0.94723E-01 -0.14170E-01 712 0.179E+00 0.444E-01
DAV: 10 -0.903557578901E+02 0.76552E-02 -0.55425E-02 704 0.141E+00 0.349E-01
DAV: 11 -0.903592876170E+02 -0.35297E-02 -0.87564E-03 624 0.557E-01 0.155E-01
DAV: 12 -0.903633368737E+02 -0.40493E-02 -0.87501E-03 618 0.487E-01 0.145E-01
DAV: 13 -0.903660226136E+02 -0.26857E-02 -0.18211E-03 917 0.364E-01 0.840E-02
DAV: 14 -0.903695901523E+02 -0.35675E-02 -0.16794E-03 645 0.222E-01 0.647E-02
DAV: 15 -0.903720197511E+02 -0.24296E-02 -0.48927E-04 661 0.111E-01 0.558E-02
DAV: 16 -0.903731807490E+02 -0.11610E-02 -0.46454E-04 672 0.135E-01 0.177E-02
DAV: 17 -0.903743387428E+02 -0.11580E-02 -0.17351E-04 658 0.654E-02 0.264E-02
DAV: 18 -0.903747485447E+02 -0.40980E-03 -0.38194E-05 640 0.317E-02 0.195E-02
DAV: 19 -0.903750055958E+02 -0.25705E-03 -0.11401E-04 648 0.629E-02 0.949E-03
DAV: 20 -0.903750657993E+02 -0.60203E-04 -0.12751E-05 496 0.229E-02 0.761E-03
DAV: 21 -0.903751132372E+02 -0.47438E-04 -0.10044E-05 434 0.174E-02 0.296E-03
DAV: 22 -0.903751378112E+02 -0.24574E-04 -0.50557E-06 477 0.106E-02 0.210E-03
DAV: 23 -0.903751411620E+02 -0.33508E-05 -0.15217E-06 528 0.682E-03
1 F= -.90375141E+02 E0= -.90380417E+02 d E =0.158278E-01